Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES CSc1sc(C(=N)N)cc1S(=O)(=O)c1ccoc1C

InChI InChI=1S/C11H12N2O3S3/c1-6-8(3-4-16-6)19(14,15)9-5-7(10(12)13)18-11(9)17-2/h3-5H,1-2H3,(H3,12,13)

InChIKey FNMILGQBXSXDJL-UHFFFAOYSA-N

Molecular Weight

316.43